SCHEMBL10705302

SCHEMBL10705302

CCCCNC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.52
KMT2A Q03164 2/20 0.51
CTSK P43235 11/20 0.50
CTSS P25774 5/20 0.50
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25118682 1.00 CAPN1 (0.52) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL7346299 0.94 CAPN1 (0.50) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL24221821 0.90 KMT2A (0.53) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL22979065 0.88 TDP1 (0.57) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL2946356 0.88 TDP1 (0.57) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL1022916 0.85 KMT2A (0.55) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL12056635 0.85 CAPN1 (0.53) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL13165128 0.85 TDP1 (0.58) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL13165125 0.85 TDP1 (0.58) CAPN1KMT2ACTSKCTSSMEN1
SCHEMBL3825056 0.85 CAPN1 (0.53) CAPN1KMT2ACTSKCTSSMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
US-8835602-B2 Templates for nucleation and propagation of peptide secondary structure INDIAN INSTITUTE OF SCIENCE (IN) 2014-09-16 US disclosed
US-20100228004-A1 TEMPLATES FOR NUCLEATION AND PROPAGATION OF PEPTIDE SECONDARY STRUCTURE EMPIRE TECHNOLOGY DEVELOPMENT LLC 2010-09-09 US disclosed
EP-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 US disclosed
US-4511504-A COLLAGENASE INHIBITORS G.D. SEARLE & CO. (US) 1985-04-16 US disclosed
EP-0126974-A1 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1984-12-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100228004-A1 TEMPLATES FOR NUCLEATION AND PROPAGATION OF PEPTIDE SECONDARY STRUCTURE IAPP, NGLY1, HDGF CAPN1 1848/4885KMT2A 4850/4885CTSK 1068/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 CAPN1 4679/4885KMT2A 919/4885CTSK 2163/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.